1-[diethoxyphosphoryl(difluoro)methyl]-2-phenylbenzene

C17H19F2O3P — CID 134937652

IUPAC1-[diethoxyphosphoryl(difluoro)methyl]-2-phenylbenzene
SMILESCCOP(=O)(OCC)C(F)(F)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H19F2O3P/c1-3-21-23(20,22-4-2)17(18,19)16-13-9-8-12-15(16)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3
InChIKeyUGBVJNWRCKMKHZ-UHFFFAOYSA-N
MW340.31 g/mol
LogP5.67
Rot. Bonds7

About 1-[diethoxyphosphoryl(difluoro)methyl]-2-phenylbenzene

1-[diethoxyphosphoryl(difluoro)methyl]-2-phenylbenzene (PubChem CID 134937652) has the molecular formula C17H19F2O3P and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[diethoxyphosphoryl(difluoro)methyl]-2-phenylbenzene.

Molecular Properties

Compound Name1-[diethoxyphosphoryl(difluoro)methyl]-2-phenylbenzene
PubChem CID134937652
Molecular FormulaC17H19F2O3P
Molecular Weight340.31 g/mol
Exact Mass340.10
IUPAC Name1-[diethoxyphosphoryl(difluoro)methyl]-2-phenylbenzene
SMILESCCOP(=O)(OCC)C(F)(F)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H19F2O3P/c1-3-21-23(20,22-4-2)17(18,19)16-13-9-8-12-15(16)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3
InChIKeyUGBVJNWRCKMKHZ-UHFFFAOYSA-N
XLogP5.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.31
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[diethoxyphosphoryl(difluoro)methyl]-2-phenylbenzene?
The IUPAC name of 1-[diethoxyphosphoryl(difluoro)methyl]-2-phenylbenzene (CID 134937652) is 1-[diethoxyphosphoryl(difluoro)methyl]-2-phenylbenzene.
What is the SMILES notation for 1-[diethoxyphosphoryl(difluoro)methyl]-2-phenylbenzene?
The canonical SMILES for 1-[diethoxyphosphoryl(difluoro)methyl]-2-phenylbenzene is CCOP(=O)(OCC)C(F)(F)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-[diethoxyphosphoryl(difluoro)methyl]-2-phenylbenzene?
The InChIKey is UGBVJNWRCKMKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2O3P/c1-3-21-23(20,22-4-2)17(18,19)16-13-9-8-12-15(16)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3.
What are the key properties of 1-[diethoxyphosphoryl(difluoro)methyl]-2-phenylbenzene?
1-[diethoxyphosphoryl(difluoro)methyl]-2-phenylbenzene has a molecular weight of 340.31 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxyphosphoryl(difluoro)methyl]-2-phenylbenzene is sourced from PubChem (CID 134937652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).